2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene

C27H19F7O2 — CID 139875417

IUPAC2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
SMILESCOCc1cc(F)c(-c2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F7O2/c1-35-13-15-10-20(28)24(21(29)11-15)18-6-7-19-17(12-18)5-4-16(25(19)32)3-2-14-8-22(30)26(23(31)9-14)36-27(33)34/h4-12,27H,2-3,13H2,1H3
InChIKeyFOWZHGBJCHAOOQ-UHFFFAOYSA-N
MW508.43 g/mol
LogP7.74
Rot. Bonds8

About 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene

2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene (PubChem CID 139875417) has the molecular formula C27H19F7O2 and a molecular weight of 508.43 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
PubChem CID139875417
Molecular FormulaC27H19F7O2
Molecular Weight508.43 g/mol
Exact Mass508.13
IUPAC Name2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
SMILESCOCc1cc(F)c(-c2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)c(F)c1
InChIInChI=1S/C27H19F7O2/c1-35-13-15-10-20(28)24(21(29)11-15)18-6-7-19-17(12-18)5-4-16(25(19)32)3-2-14-8-22(30)26(23(31)9-14)36-27(33)34/h4-12,27H,2-3,13H2,1H3
InChIKeyFOWZHGBJCHAOOQ-UHFFFAOYSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.43
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139870997
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875278
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(methoxymethyl)pyrimidine
CID 139871217
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(3-methoxypropyl)phenyl]ethyl]naphthalene
CID 139870781
6-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139875545
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]naphthalene
CID 139871216
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(2-methoxyethyl)pyridine
CID 139875034
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
6-[2-(4-butoxyphenyl)ethyl]-2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-1-fluoronaphthalene
CID 139873719
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene (CID 139875417) is 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene is COCc1cc(F)c(-c2ccc3c(F)c(CCc4cc(F)c(OC(F)F)c(F)c4)ccc3c2)c(F)c1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
The InChIKey is FOWZHGBJCHAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F7O2/c1-35-13-15-10-20(28)24(21(29)11-15)18-6-7-19-17(12-18)5-4-16(25(19)32)3-2-14-8-22(30)26(23(31)9-14)36-27(33)34/h4-12,27H,2-3,13H2,1H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene?
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene has a molecular weight of 508.43 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139875417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).